LCPQ
/
qp2
mirror of https://github.com/QuantumPackage/qp2.git
9
1
Fork 0
Code Releases Activity

Force opam installation with OCaml 4.7.1

This commit is contained in:
Anthony Scemama 2019-07-24 13:05:12 +02:00 committed by GitHub
parent edd2276b75 2e86462070
commit ff3e5b2ac1
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
4 changed files with 38 additions and 18 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

21
GITHUB.md
View File

@ -2,20 +2,23 @@ GitHub Branches
===============
master:
The current up-to-date working branch, that users download It should
only contain the latest release and bug fixes.
The current up-to-date working branch, that users download. It should
only contain the latest stable release and bug fixes.
develop-lcpq:
Toulouse development branch
develop-lct:
Paris development branch
develop:
dev:
It is a fork of the *master* branch with new developments that will be
merged in the *master* branch for the next release. Other development
branches should be merged on this one.
bugfix:
A fork of the *master* on which the bug fixes are made.
dev-lcpq:
Toulouse development branch
dev-lct:
Paris development branch
gh-pages:
This is an independent branch, containing only the web site of QP2.

11
INSTALL.rst
View File

@ -328,7 +328,7 @@ OCaml
echo ${QP_ROOT}/bin
${QP_ROOT}/external/opam_installer.sh --no-backup --fresh
You the :command:`opam` command can be installed in the :file:`${QP_ROOT}/bin`
The :command:`opam` command can be installed in the :file:`${QP_ROOT}/bin`
directory. To do this, take the output of ``echo ${QP_ROOT}/bin`` and
use it as an answer to where :command:`opam` should be installed.
@ -337,7 +337,14 @@ OCaml
.. code:: bash
opam init --disable-sandboxing --comp=4.07.0
opam init --comp=4.07.1
eval `${QP_ROOT}/bin/opam env`
If the installation fails because of bwrap, you can initialize opam using:
.. code:: bash
opam init --disable-sandboxing --comp=4.07.1
eval `${QP_ROOT}/bin/opam env`
* Install the required external OCaml libraries

2
README.md
View File

@ -5,7 +5,7 @@
[*Quantum package 2.0: an open-source determinant-driven suite of programs*](https://pubs.acs.org/doi/10.1021/acs.jctc.9b00176)\
Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Ferté, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. Véril, M. Caffarel, P. F. Loos, E. Giner and A. Scemama\
J. Chem. Theory Comput., 15:6, 3591--3609, (2019)\
[J. Chem. Theory Comput. 2019, 15, 6, 3591-3609](https://doi.org/10.1021/acs.jctc.9b00176)\
https://arxiv.org/abs/1902.08154
```

22
configure vendored
View File

@ -297,27 +297,37 @@ EOF
${QP_ROOT}/bin
EOF
rm ${QP_ROOT}/external/opam_installer.sh
source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
${QP_ROOT}/bin/opam init --verbose --yes
opam switch create ocaml-base-compiler.4.07.1
opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
eval $(${QP_ROOT}/bin/opam env)
eval $(opam env)
opam install -y ${OCAML_PACKAGES} || exit 1
else
# Conventional commands
execute << EOF
chmod +x "\${QP_ROOT}"/external/opam_installer.sh
"\${QP_ROOT}"/external/opam_installer.sh --no-backup
EOF
execute << EOF
rm --force \${QP_ROOT}/bin/opam
export OPAMROOT=\${OPAMROOT:-\${QP_ROOT}/external/opam}
echo \${QP_ROOT}/bin \
| sh \${QP_ROOT}/external/opam_installer.sh
rm \${QP_ROOT}/external/opam_installer.sh
source \${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
\${QP_ROOT}/bin/opam init --verbose --yes
eval \$(\${QP_ROOT}/bin/opam env)
EOF
rm \${QP_ROOT}/external/opam_installer.sh
source \${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
opam switch create ocaml-base-compiler.4.07.1 || exit 1
opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
eval $(opam env)
EOF
execute << EOF
opam install -y \${OCAML_PACKAGES} || exit 1
EOF
fi